CID 137090

3-penten-1-yne, (3e)-

Structural Information

Molecular Formula

C₅H₆

SMILES

CC=CC#C

InChI

InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3

InChIKey

XAJOPMVSQIBJCW-UHFFFAOYSA-N

Compound name

pent-3-en-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 611
Patents: 66.04695 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	67.054226	111.5
[M+Na]+	89.036168	123.3
[M+NH4]+	84.080773	117.1
[M+K]+	105.01011	114.1
[M-H]-	65.039674	104.2
[M+Na-2H]-	87.021616	114.4
[M]+	66.046401	110.2
[M]-	66.047499	110.2

Literature stripe

literature stripe

Patent stripe

patents stripe